Dimethylformamide → N-(4-chlorobenzyl)-2-(3-hydroxyprop-1-ynyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

반응식

[CH2:24]([C:25]#[CH:26])[OH:27].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:21])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[cH:17][c:18]([I:20])[s:19]3)[cH:22][cH:23]1.[O:28]=[CH:29][N:30]([CH3:31])[CH3:32]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:21])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[cH:17][c:18]([C:26]#[C:25][CH2:24][OH:27])[s:19]3)[cH:22][cH:23]1

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 7859Propargyl alcohol

HCID 22563223N-(4-chlorobenzyl)-2-iodo-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

생성물 1

HCID 10000250N-(4-chlorobenzyl)-2-(3-hydroxyprop-1-ynyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

출처 및 근거

ORD 기록: ord-9760512a6c8a45329d980a7fc2e9de92
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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